SCHEMBL22858716

SCHEMBL22858716

CNC(=O)CCN1CCc2c(C)cc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)c(C)c5)c4n3)cc2C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 9/20 0.77
▸ TNIK Q9UKE5 2/20 0.37
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ MAPK1 P28482 4/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29609233 1.00 MAP4K1 (0.77) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22858795 0.93 MAP4K1 (0.80) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22859015 0.93 MAP4K1 (0.80) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL29609110 0.93 MAP4K1 (0.80) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL29608148 0.93 MAP4K1 (0.80) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22859048 0.92 MAP4K1 (0.78) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22859056 0.92 MAP4K1 (0.73) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22858791 0.92 MAP4K1 (0.73) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22858705 0.92 MAP4K1 (0.73) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL22859053 0.92 MAP4K1 (0.73) MAP4K1TNIKJAK2JAK1TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
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